2-(4-carbazol-9-ylnaphthalen-1-yl)-1,2-dihydro-[1]benzofuro[3,2-e][1,3]benzoxazole

C35H22N2O2 — CID 167453325

IUPAC2-(4-carbazol-9-ylnaphthalen-1-yl)-1,2-dihydro-[1]benzofuro[3,2-e][1,3]benzoxazole
SMILESc1ccc2c(c1)oc1ccc3c(c12)NC(c1ccc(-n2c4ccccc4c4ccccc42)c2ccccc12)O3
InChIInChI=1S/C35H22N2O2/c1-2-10-22-21(9-1)25(17-18-29(22)37-27-14-6-3-11-23(27)24-12-4-7-15-28(24)37)35-36-34-32(39-35)20-19-31-33(34)26-13-5-8-16-30(26)38-31/h1-20,35-36H
InChIKeyWHGQZYFEKACZCJ-UHFFFAOYSA-N
MW502.57 g/mol
LogP9.34
Rot. Bonds2

About 2-(4-carbazol-9-ylnaphthalen-1-yl)-1,2-dihydro-[1]benzofuro[3,2-e][1,3]benzoxazole

2-(4-carbazol-9-ylnaphthalen-1-yl)-1,2-dihydro-[1]benzofuro[3,2-e][1,3]benzoxazole (PubChem CID 167453325) has the molecular formula C35H22N2O2 and a molecular weight of 502.57 g/mol. Its IUPAC name is 2-(4-carbazol-9-ylnaphthalen-1-yl)-1,2-dihydro-[1]benzofuro[3,2-e][1,3]benzoxazole.

Molecular Properties

Compound Name2-(4-carbazol-9-ylnaphthalen-1-yl)-1,2-dihydro-[1]benzofuro[3,2-e][1,3]benzoxazole
PubChem CID167453325
Molecular FormulaC35H22N2O2
Molecular Weight502.57 g/mol
Exact Mass502.17
IUPAC Name2-(4-carbazol-9-ylnaphthalen-1-yl)-1,2-dihydro-[1]benzofuro[3,2-e][1,3]benzoxazole
SMILESc1ccc2c(c1)oc1ccc3c(c12)NC(c1ccc(-n2c4ccccc4c4ccccc42)c2ccccc12)O3
InChIInChI=1S/C35H22N2O2/c1-2-10-22-21(9-1)25(17-18-29(22)37-27-14-6-3-11-23(27)24-12-4-7-15-28(24)37)35-36-34-32(39-35)20-19-31-33(34)26-13-5-8-16-30(26)38-31/h1-20,35-36H
InChIKeyWHGQZYFEKACZCJ-UHFFFAOYSA-N
XLogP9.34
TPSA39.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500502.57
LogP ≤ 59.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-carbazol-9-ylnaphthalen-1-yl)-5-phenyl-1,2-dihydro-[1]benzofuro[3,2-e][1,3]benzoxazole
CID 167453356
2-(4-benzo[c]carbazol-7-ylnaphthalen-1-yl)-5-naphthalen-2-yl-1,2-dihydro-[1]benzofuro[3,2-e][1,3]benzoxazole
CID 167454438
2-[4-(9-phenylcarbazol-2-yl)phenyl]-1,2-dihydro-[1]benzofuro[3,2-e][1,3]benzoxazole
CID 167453052
2-(9-phenyl-1,2-dihydrocarbazol-3-yl)-1,2-dihydro-[1]benzofuro[3,2-e][1,3]benzoxazole
CID 167452888
2-(7-phenylbenzo[c]carbazol-10-yl)-1,2-dihydro-[1]benzofuro[3,2-e][1,3]benzoxazole
CID 167454048
2-(4-carbazol-9-ylphenyl)-9-phenyl-1,2-dihydro-[1]benzofuro[3,2-e][1,3]benzoxazole
CID 167453721
9-(19-oxapentacyclo[14.2.1.05,18.06,11.012,17]nonadeca-1(18),2,4,6,8,10,12(17),13,15-nonaen-4-yl)carbazole
CID 169060972
2-(4-benzo[b]carbazol-5-ylnaphthalen-1-yl)-7-phenanthren-9-yl-2,3-dihydro-[1]benzofuro[2,3-g][1,3]benzoxazole
CID 167453201
2-(4-carbazol-9-ylphenyl)-1,2-dihydro-[1]benzofuro[3,2-e][1,3]benzothiazole
CID 167454006
9-[1-[4-(2-carbazol-9-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-2-yl]carbazole
CID 146816621
3-carbazol-9-yl-9-(8-carbazol-9-yldibenzofuran-1-yl)carbazole
CID 176831663
9-dibenzofuran-1-yl-3-iodocarbazole
CID 90291712

Frequently Asked Questions

What is the IUPAC name of 2-(4-carbazol-9-ylnaphthalen-1-yl)-1,2-dihydro-[1]benzofuro[3,2-e][1,3]benzoxazole?
The IUPAC name of 2-(4-carbazol-9-ylnaphthalen-1-yl)-1,2-dihydro-[1]benzofuro[3,2-e][1,3]benzoxazole (CID 167453325) is 2-(4-carbazol-9-ylnaphthalen-1-yl)-1,2-dihydro-[1]benzofuro[3,2-e][1,3]benzoxazole.
What is the SMILES notation for 2-(4-carbazol-9-ylnaphthalen-1-yl)-1,2-dihydro-[1]benzofuro[3,2-e][1,3]benzoxazole?
The canonical SMILES for 2-(4-carbazol-9-ylnaphthalen-1-yl)-1,2-dihydro-[1]benzofuro[3,2-e][1,3]benzoxazole is c1ccc2c(c1)oc1ccc3c(c12)NC(c1ccc(-n2c4ccccc4c4ccccc42)c2ccccc12)O3.
What is the InChIKey of 2-(4-carbazol-9-ylnaphthalen-1-yl)-1,2-dihydro-[1]benzofuro[3,2-e][1,3]benzoxazole?
The InChIKey is WHGQZYFEKACZCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H22N2O2/c1-2-10-22-21(9-1)25(17-18-29(22)37-27-14-6-3-11-23(27)24-12-4-7-15-28(24)37)35-36-34-32(39-35)20-19-31-33(34)26-13-5-8-16-30(26)38-31/h1-20,35-36H.
What are the key properties of 2-(4-carbazol-9-ylnaphthalen-1-yl)-1,2-dihydro-[1]benzofuro[3,2-e][1,3]benzoxazole?
2-(4-carbazol-9-ylnaphthalen-1-yl)-1,2-dihydro-[1]benzofuro[3,2-e][1,3]benzoxazole has a molecular weight of 502.57 g/mol, XLogP of 9.34, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-carbazol-9-ylnaphthalen-1-yl)-1,2-dihydro-[1]benzofuro[3,2-e][1,3]benzoxazole is sourced from PubChem (CID 167453325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).